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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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| You are here: Home > Ions > Energy > Calculated Ionization Energy OR Calculated > Energy > Ion > Calculated Ionization Energy | |
| Cation | Neutral | Difference | Vertical | Difference | |||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
| Hartrees | -0.6032657 | -1.1682862 | 0.5650205 | 0.0000000 | 1.1682862 | ||||||
| cm-1 | 1657.9 | 2235.5 | -577.6 | ||||||||
| eV | -16.416 | 0.206 | -16.210 | -31.791 | 0.277 | -31.514 | 15.375 | -0.072 | 15.303 | 0.000 | 31.791 |